5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C14H12ClN3S3 — CID 24513127

IUPAC5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESClc1snnc1CN1CCc2sccc2C1c1cccs1
InChIInChI=1S/C14H12ClN3S3/c15-14-10(16-17-21-14)8-18-5-3-11-9(4-7-20-11)13(18)12-2-1-6-19-12/h1-2,4,6-7,13H,3,5,8H2
InChIKeyJCEFAXSOFWULFN-UHFFFAOYSA-N
MW353.93 g/mol
LogP4.46
Rot. Bonds3

About 5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 24513127) has the molecular formula C14H12ClN3S3 and a molecular weight of 353.93 g/mol. Its IUPAC name is 5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID24513127
Molecular FormulaC14H12ClN3S3
Molecular Weight353.93 g/mol
Exact Mass352.99
IUPAC Name5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESClc1snnc1CN1CCc2sccc2C1c1cccs1
InChIInChI=1S/C14H12ClN3S3/c15-14-10(16-17-21-14)8-18-5-3-11-9(4-7-20-11)13(18)12-2-1-6-19-12/h1-2,4,6-7,13H,3,5,8H2
InChIKeyJCEFAXSOFWULFN-UHFFFAOYSA-N
XLogP4.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.93
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine with MolForge

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Related Compounds

5-chloro-4-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]thiadiazole
CID 9453722
4-[(5-chlorothiadiazol-4-yl)methyl]-3-thiophen-2-ylpiperazin-2-one
CID 71986542
2-cyclopropyl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole
CID 47704366
5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid
CID 146134819
5-butyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 75853568
2-[[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-1,3-benzoxazole
CID 9208208
3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
CID 24648961
2-[[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]quinazolin-4-amine
CID 25352181
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
2-(3-methylphenyl)-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole
CID 86911699
methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate
CID 24534408
2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9129325

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 24513127) is 5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine is Clc1snnc1CN1CCc2sccc2C1c1cccs1.
What is the InChIKey of 5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is JCEFAXSOFWULFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S3/c15-14-10(16-17-21-14)8-18-5-3-11-9(4-7-20-11)13(18)12-2-1-6-19-12/h1-2,4,6-7,13H,3,5,8H2.
What are the key properties of 5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 353.93 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiadiazol-4-yl)methyl]-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 24513127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).